5SNI
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z285782452
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.258, 65.588, 84.124 |
| Unit cell angles | 90.00, 93.23, 90.00 |
Refinement procedure
| Resolution | 68.610 - 2.110 |
| R-factor | 0.1845 |
| Rwork | 0.181 |
| R-free | 0.24910 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | None |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.574 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.560 | 68.560 | 2.160 |
| High resolution limit [Å] | 2.110 | 9.440 | 2.110 |
| Rmerge | 0.155 | 0.044 | 0.978 |
| Rmeas | 0.185 | 0.052 | 1.164 |
| Rpim | 0.101 | 0.028 | 0.624 |
| Total number of observations | 141739 | 1723 | 10727 |
| Number of reflections | 43099 | ||
| <I/σ(I)> | 4.8 | 13.7 | 1.2 |
| Completeness [%] | 99.8 | 99.8 | 99.8 |
| Redundancy | 3.3 | 3.3 | 3.4 |
| CC(1/2) | 0.985 | 0.997 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.20M ammonium formate, 26% PEG3350 |
